3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid

C14H27N3O3 — CID 61478465

IUPAC3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid
SMILESCCN1CCCC(NC(=O)N(CCC(=O)O)C(C)C)C1
InChIInChI=1S/C14H27N3O3/c1-4-16-8-5-6-12(10-16)15-14(20)17(11(2)3)9-7-13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyRSTYIFFYWWDXNS-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.37
Rot. Bonds6

About 3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid

3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid (PubChem CID 61478465) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid
PubChem CID61478465
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid
SMILESCCN1CCCC(NC(=O)N(CCC(=O)O)C(C)C)C1
InChIInChI=1S/C14H27N3O3/c1-4-16-8-5-6-12(10-16)15-14(20)17(11(2)3)9-7-13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyRSTYIFFYWWDXNS-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclopropylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61187933
1-ethyl-3-(1-ethylpiperidin-3-yl)-1-methylurea
CID 115604545
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
3-[oxan-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61202946
3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61402752
5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 61478336
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
3-[(1,1-dioxothian-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61201639
2-cyano-N-(1-ethylpiperidin-3-yl)propanamide
CID 55208553
2-bromo-N-(1-ethylpiperidin-3-yl)butanamide
CID 62854187
3-[(2-methylpyrrolidine-1-carbonyl)-propan-2-ylamino]propanoic acid
CID 61208618

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid (CID 61478465) is 3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid is CCN1CCCC(NC(=O)N(CCC(=O)O)C(C)C)C1.
What is the InChIKey of 3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid?
The InChIKey is RSTYIFFYWWDXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-16-8-5-6-12(10-16)15-14(20)17(11(2)3)9-7-13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid?
3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 61478465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).